8-chloro-6-(2-chlorophenyl)-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine

C17H11Cl2N3S — CID 12878272

IUPAC8-chloro-6-(2-chlorophenyl)-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine
SMILESNc1nc2c(s1)CN=C(c1ccccc1Cl)c1cc(Cl)ccc1-2
InChIInChI=1S/C17H11Cl2N3S/c18-9-5-6-10-12(7-9)15(11-3-1-2-4-13(11)19)21-8-14-16(10)22-17(20)23-14/h1-7H,8H2,(H2,20,22)
InChIKeyPIDFBNDGTKAFMB-UHFFFAOYSA-N
MW360.27 g/mol
LogP5.05
Rot. Bonds1

About 8-chloro-6-(2-chlorophenyl)-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine

8-chloro-6-(2-chlorophenyl)-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine (PubChem CID 12878272) has the molecular formula C17H11Cl2N3S and a molecular weight of 360.27 g/mol. Its IUPAC name is 8-chloro-6-(2-chlorophenyl)-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine.

Molecular Properties

Compound Name8-chloro-6-(2-chlorophenyl)-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine
PubChem CID12878272
Molecular FormulaC17H11Cl2N3S
Molecular Weight360.27 g/mol
Exact Mass359.01
IUPAC Name8-chloro-6-(2-chlorophenyl)-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine
SMILESNc1nc2c(s1)CN=C(c1ccccc1Cl)c1cc(Cl)ccc1-2
InChIInChI=1S/C17H11Cl2N3S/c18-9-5-6-10-12(7-9)15(11-3-1-2-4-13(11)19)21-8-14-16(10)22-17(20)23-14/h1-7H,8H2,(H2,20,22)
InChIKeyPIDFBNDGTKAFMB-UHFFFAOYSA-N
XLogP5.05
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.27
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-(2-chlorophenyl)-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine?
The IUPAC name of 8-chloro-6-(2-chlorophenyl)-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine (CID 12878272) is 8-chloro-6-(2-chlorophenyl)-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine.
What is the SMILES notation for 8-chloro-6-(2-chlorophenyl)-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine?
The canonical SMILES for 8-chloro-6-(2-chlorophenyl)-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine is Nc1nc2c(s1)CN=C(c1ccccc1Cl)c1cc(Cl)ccc1-2.
What is the InChIKey of 8-chloro-6-(2-chlorophenyl)-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine?
The InChIKey is PIDFBNDGTKAFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N3S/c18-9-5-6-10-12(7-9)15(11-3-1-2-4-13(11)19)21-8-14-16(10)22-17(20)23-14/h1-7H,8H2,(H2,20,22).
What are the key properties of 8-chloro-6-(2-chlorophenyl)-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine?
8-chloro-6-(2-chlorophenyl)-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine has a molecular weight of 360.27 g/mol, XLogP of 5.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-(2-chlorophenyl)-4H-[1,3]thiazolo[5,4-d][2]benzazepin-2-amine is sourced from PubChem (CID 12878272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).